SCHEMBL2298946

SCHEMBL2298946

O=CC1CNc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
EPHX2 P34913 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AHR P35869 1/20 0.33
PDK2 Q15119 1/20 0.33
NPC1 O15118 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
TSHR P16473 1/20 0.32
CHRNB2 P17787 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL385636 0.75 IDO1 (0.41) TSHR
SCHEMBL8561460 0.74 EPHX2 (0.52) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8561458 0.74 EPHX2 (0.52) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8561461 0.74 EPHX2 (0.52) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL28291677 0.74 IDH1 (0.33)
SCHEMBL15265894 0.71 MTNR1A (0.47) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL2620988 0.71 BRD4 (0.55) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL2030277 0.71 PLAU (0.45) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL4014104 0.71 MTNR1A (0.44) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL9965445 0.71 BRD4 (0.55) MTNR1AMTNR1BEPHX2GAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087989-A1 IMPROVED PROCESS FOR PREPARING SCHIFF BASE ADDUCTS OF AMINES WITH O-HYDROXY ALDEHYDES AND COMPOSITIONS OF MATTER BASED THEREON Pfizer Products Inc. (US) 2001-04-04 EP claimed
WO-2000000507-A1 IMPROVED PROCESS FOR PREPARING SCHIFF BASE ADDUCTS OF AMINES WITH O-HYDROXY ALDEHYDES AND COMPOSITIONS OF MATTER BASED THEREON PFIZER PRODUCTS INC. (US) 2000-01-06 WO claimed
EP-2536733-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2012-12-26 EP disclosed
WO-2011101424-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-25 WO disclosed
EP-2268644-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
CN-101255221-A Olefin-diene copolymer and process for producing the same SUMITOMO CHEMICAL CO (JP) 2008-09-03 CN disclosed